2-Fluoro-4-iodobenzonitrile

Basic Information

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CAS Number

137553-42-5

Molecular Formula

C7H3FIN

Molecular Weight

236.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

103.7-104.6

Boiling Point

264°C at 760 mmHg

Water Solubility

Slightly soluble in water.

SMILES

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C1=CC(=C(C=C1I)F)C#N

InChI

InChI=1S/C7H3FIN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H

InChIKey

WHQVXHBSTRFRCE-UHFFFAOYSA-N

LogP

2.7387200000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

162

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Light Sensitive

Synonyms & References

English

SCHEMBL171635
AKOS015853422
AM61315
Z1269146711
4-iodo-2-fluorobenzonitrile
J-007039
CK2141
PD131173
137553-42-5
MFCD03094172
AC-4072
DTXSID80379069
FT-0657708
2-fluoro-4-iodobenzonitrile
1-cyano-2-fluoro-4-iodobenzene
SY031459
CS-W008356
Benzonitrile, 2-fluoro-4-iodo-
PS-7515
EN300-3256105
WHQVXHBSTRFRCE-UHFFFAOYSA-N
SB66905
2-Fluoro-4-iodobenzonitrile
3-Fluoro-4-cyano-1-iodobenzene
2-fluoro-4-iodobenzenecarbonitrile
PubChem4778
KSC493I5T
2-fluoro-4-iodo-benzonitrile
Benzonitrile,2-fluoro-4-iodo-
SBB063610
PC2726

MDL Number

MFCD03094172

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Fluoro-4-iodobenzonitrile (CAS: 137553-42-5)?

2-Fluoro-4-iodobenzonitrile is a crystalline solid with a molecular weight of approximately 287.03 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is known for its low reactivity under normal conditions but can undergo electrophilic aromatic substitution reactions under appropriate conditions.

How is 2-Fluoro-4-iodobenzonitrile (CAS: 137553-42-5) typically synthesized?

2-Fluoro-4-iodobenzonitrile is typically synthesized via the Suzuki-Miyaura coupling reaction between 2-fluorobromobenzene and iodobenzene in the presence of a palladium catalyst, such as tetrakis(triphenylphosphine)palladium(0), and a base like sodium carbonate. The yield and selectivity can be improved by optimizing the reaction conditions.

What industries use 2-Fluoro-4-iodobenzonitrile (CAS: 137553-42-5)?

2-Fluoro-4-iodobenzonitrile is used in the pharmaceutical industry for the synthesis of certain medicinal compounds due to its unique chemical structure. It may also find applications in the polymer industry for developing advanced materials, and in the sensor industry for creating chemical sensors due to its reactivity.

What precautions should be taken when handling 2-Fluoro-4-iodobenzonitrile (CAS: 137553-42-5)?

When handling 2-Fluoro-4-iodobenzonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated fume hood to minimize exposure. In case of a spill, immediately clean up the area using appropriate absorbent materials and consult the safety data sheet (SDS) for further instructions.